4-(Phenylthio)-1,2-benzenediamine

C₁₂H₁₂N₂SCAS 43156-48-5216.30 g/mol

Open in Covalent MOL file

Primary amine Sulfide

Properties

Molecular formula: C₁₂H₁₂N₂S
Molar mass: 216.30 g/mol
Exact mass: 216.0721 Da
logP: 3.00Crippen estimate
Polar surface area: 52.0 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 2

Identifiers

CAS number

43156-48-5

SMILES

Nc1ccc(Sc2ccccc2)cc1N

InChIKey

YLEPPBFOGUYOEI-UHFFFAOYSA-N

InChI

InChI=1S/C12H12N2S/c13-11-7-6-10(8-12(11)14)15-9-4-2-1-3-5-9/h1-8H,13-14H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names

1,2-Benzenediamine, 4-(phenylthio)-
1,2-Diamino-4-phenylthiobenzene
4-Phenylsulfenyl-o-phenylenediamine
5-(Phenylthio)-1,2-benzenediamine
4-Thiophenoxy-1,2-phenylenediamine

Work with 4-(Phenylthio)-1,2-benzenediamine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-(Phenylthio)aniline1134-94-752 % similar Benzenamine, 2-(phenylthio)-, hydrochloride (1:1)6764-13-247 % similar O-Phenylenediamine95-54-542 % similar 2,3-Diaminonaphthalene771-97-141 % similar 3,3'-Diaminobenzidine91-95-241 % similar 4-(Phenylthio)benzaldehyde1208-88-441 % similar 4-(Phenylthio)benzenemethanol6317-56-241 % similar 1,2-Benzenediamine, 4-(propylthio)-, hydrochloride (1:?)57780-76-441 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4,4'-Thiodianiline139-65-1

Elsewhere

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